N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C23H26F3N3O2S MolecularWeight: 465.53165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCCC3

InChI

InChI=1S/C23H26F3N3O2S/c1-31-18-10-7-16(8-11-18)21(30)28-22(32)27-19-15-17(23(24,25)26)9-12-20(19)29-13-5-3-2-4-6-14-29/h7-12,15H,2-6,13-14H2,1H3,(H2,27,28,30,32)